Drug Information

Drug General Information
Drug ID
D06DSE
Former ID
DNC004136
Drug Name
PD-83176
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534307]
Structure
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2D MOL

3D MOL
Formula
C54H57N9O9
Canonical SMILES
CC(C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(COCC3=CC=C<br />C=C3)NC(=O)C(CC4=CC=C(C=C4)OCC5=CC=CC=C5)NC(=O)C(CC6=CN<br />=CN6)NC(=O)OCC7=CC=CC=C7
InChI
1S/C54H57N9O9/c1-35(49(55)64)59-50(65)46(26-40-28-57-44-20-12-11-19-43(40)44)61-53(68)48(33-70-30-37-13-5-2-6-14-37)62-51(66)45(25-36-21-23-42(24-22-36)71-31-38-15-7-3-8-16-38)60-52(67)47(27-41-29-56-34-58-41)63-54(69)72-32-39-17-9-4-10-18-39/h2-24,28-29,34-35,45-48,57H,25-27,30-33H2,1H3,(H2,55,64)(H,56,58)(H,59,65)(H,60,67)(H,61,68)(H,62,66)(H,63,69)/t35-,45+,46+,47+,48+/m0/s1
InChIKey
LMBPTRXCFXWLRW-ZQIGARPHSA-N
PubChem Compound ID
9919495
Target and Pathway
Target(s) Geranylgeranyl transferase type I beta subunit Target Info Inhibitor [534307]
Protein farnesyltransferase beta subunit Target Info Inhibitor [534307]
Farnesyltransferase Target Info Inhibitor [534307]
KEGG Pathway Terpenoid backbone biosynthesis
Biosynthesis of antibioticshsa00900:Terpenoid backbone biosynthesis
Biosynthesis of antibiotics
NetPath Pathway TSH Signaling Pathway
Reactome Inactivation, recovery and regulation of the phototransduction cascadeR-HSA-111465:Apoptotic cleavage of cellular proteins
Inactivation, recovery and regulation of the phototransduction cascade
WikiPathways Visual phototransductionWP2776:Visual phototransduction
Apoptotic execution phase
References
Ref 534307J Med Chem. 1997 Jan 17;40(2):192-200.Structure-activity relationships of cysteine-lacking pentapeptide derivatives that inhibit ras farnesyltransferase.
Ref 534307J Med Chem. 1997 Jan 17;40(2):192-200.Structure-activity relationships of cysteine-lacking pentapeptide derivatives that inhibit ras farnesyltransferase.

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